Compound Detail
CHEMBL305575
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL305575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBEZSFOTIHPSFT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.6
MW (Da)
5.63
ALogP
3
HBA
3
HBD
36.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Ki 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Trypanothione reductase CHEMBL5131 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Trypanothione reductase CHEMBL5131 | Ki | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 190.0 | nM | 6.72 | Antiprotozoal activity against Trypanosoma brucei | 28886510 |
| Trypanothione reductase | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of Trypanosoma cruzi TryR assessed as inhibition constant | 28886510 |
| Trypanothione reductase | Ki | = | 9500.0 | nM | 5.02 | Compound was evaluated for the competitive inhibition of trypanothione reduction... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00331-M | Trypanothione reductase | 1 |
| - | 10.1016/0960-894X(95)00331-M | Glutathione reductase, mitochondrial | 1 |
| 28886510 | 10.1016/j.ejmech.2017.08.014 | Trypanothione reductase | 1 |
| 28886510 | 10.1016/j.ejmech.2017.08.014 | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine